N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine

C21H43N5 — CID 138564613

IUPACN'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
SMILESCCNCC/C=C\CNC/C=C\CNC/C=C\CNCCCCCNC
InChIInChI=1S/C21H43N5/c1-3-23-15-7-5-9-17-25-19-11-13-21-26-20-12-10-18-24-16-8-4-6-14-22-2/h5,9-13,22-26H,3-4,6-8,14-21H2,1-2H3/b9-5-,12-10-,13-11-
InChIKeyDWUFURMDHVEVRU-LRAGIACVSA-N
MW365.61 g/mol
LogP1.81
Rot. Bonds20

About N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine

N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine (PubChem CID 138564613) has the molecular formula C21H43N5 and a molecular weight of 365.61 g/mol. Its IUPAC name is N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
PubChem CID138564613
Molecular FormulaC21H43N5
Molecular Weight365.61 g/mol
Exact Mass365.35
IUPAC NameN'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
SMILESCCNCC/C=C\CNC/C=C\CNC/C=C\CNCCCCCNC
InChIInChI=1S/C21H43N5/c1-3-23-15-7-5-9-17-25-19-11-13-21-26-20-12-10-18-24-16-8-4-6-14-22-2/h5,9-13,22-26H,3-4,6-8,14-21H2,1-2H3/b9-5-,12-10-,13-11-
InChIKeyDWUFURMDHVEVRU-LRAGIACVSA-N
XLogP1.81
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
The IUPAC name of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine (CID 138564613) is N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine.
What is the SMILES notation for N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
The canonical SMILES for N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine is CCNCC/C=C\CNC/C=C\CNC/C=C\CNCCCCCNC.
What is the InChIKey of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
The InChIKey is DWUFURMDHVEVRU-LRAGIACVSA-N. The full InChI is InChI=1S/C21H43N5/c1-3-23-15-7-5-9-17-25-19-11-13-21-26-20-12-10-18-24-16-8-4-6-14-22-2/h5,9-13,22-26H,3-4,6-8,14-21H2,1-2H3/b9-5-,12-10-,13-11-.
What are the key properties of N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine?
N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine has a molecular weight of 365.61 g/mol, XLogP of 1.81, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine is sourced from PubChem (CID 138564613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).